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89329-20-4 | 2-Propenoic acid, 3-phenyl-, 3,4,5-trimethoxyphenyl ester
CAS No: 89329-20-4 Catalog No: AG003ZKA MDL No:
Product Description
Catalog Number:
AG003ZKA
Chemical Name:
2-Propenoic acid, 3-phenyl-, 3,4,5-trimethoxyphenyl ester
CAS Number:
89329-20-4
Molecular Formula:
C18H18O5
Molecular Weight:
314.3325
IUPAC Name:
(3,4,5-trimethoxyphenyl) 3-phenylprop-2-enoate
InChI:
InChI=1S/C18H18O5/c1-20-15-11-14(12-16(21-2)18(15)22-3)23-17(19)10-9-13-7-5-4-6-8-13/h4-12H,1-3H3
InChI Key:
HHCCWBRQPBEBBS-UHFFFAOYSA-N
SMILES:
COc1cc(OC(=O)C=Cc2ccccc2)cc(c1OC)OC
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.115g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.337g/mol
Monoisotopic Mass:
314.115g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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